7CFK
Structure of the CBS domain of the bacterial CNNM/CorC family Mg2+ transporter in complex with the novel inhibitor IGN95a
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL17U1 |
| Synchrotron site | SSRF |
| Beamline | BL17U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2020-06-01 |
| Detector | DECTRIS EIGER X 16M |
| Wavelength(s) | 0.97092 |
| Spacegroup name | C 1 2 1 |
| Unit cell lengths | 91.015, 60.513, 82.256 |
| Unit cell angles | 90.00, 93.78, 90.00 |
Refinement procedure
| Resolution | 45.410 - 2.900 |
| R-factor | 0.2165 |
| Rwork | 0.210 |
| R-free | 0.27590 |
| Structure solution method | MOLECULAR REPLACEMENT |
| Starting model (for MR) | 7cfi |
| RMSD bond length | 0.010 |
| RMSD bond angle | 1.331 |
| Data reduction software | XDS |
| Data scaling software | XDS |
| Phasing software | PHASER |
| Refinement software | PHENIX (1.18.2_3874) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 45.410 | 3.080 |
| High resolution limit [Å] | 2.900 | 2.900 |
| Number of reflections | 19225 | 1164 |
| <I/σ(I)> | 9.28 | |
| Completeness [%] | 99.6 | |
| Redundancy | 6.8 | |
| CC(1/2) | 0.997 | 0.524 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION | 6 | 291 | 0.1 M KCl, 0.1 M MES pH 6.0, 32% w/v PEG 400 |
